Compile Data Set for Download or QSAR

Found 339 hits Enz. Inhib. hit(s) with all data for entry = 222   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM228440 (US9556135, 25) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30| Show InChI InChI=1S/C20H22ClFN4O3S/c1-11-7-12(21)9-24-16(11)17(27)25-13-5-6-15(22)14(8-13)20(4)10-30(28,29)19(2,3)18(23)26-20/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229582 (US9556135, 174) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:10| Show InChI InChI=1S/C20H18ClF2N5O2S/c1-19(10-31(29,30)20(2,23)18(24)28-19)14-8-13(3-4-15(14)22)27-17-16-11(5-6-25-17)7-12(21)9-26-16/h3-9H,10H2,1-2H3,(H2,24,28)(H,25,27)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230011 (US9556135, 178) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F |r,c:10| Show InChI InChI=1S/C20H17ClF3N5O2S/c1-19(9-32(30,31)20(2,24)18(25)29-19)13-6-11(3-4-14(13)22)28-17-16-12(15(23)8-27-17)5-10(21)7-26-16/h3-8H,9H2,1-2H3,(H2,25,29)(H,27,28)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228441 (US9556135, 26) Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33| Show InChI InChI=1S/C23H25FN4O4S/c1-5-6-11-32-16-8-10-19(26-13-16)20(29)27-15-7-9-18(24)17(12-15)23(4)14-33(30,31)22(2,3)21(25)28-23/h7-10,12-13H,11,14H2,1-4H3,(H2,25,28)(H,27,29)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228479 (US9556135, 205) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F |r,t:22| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-10-7-11(21)9-25-15(10)16(28)26-12-3-4-14(22)13(8-12)19(2)17(23)31(29,30)20(5-6-20)18(24)27-19/h3-4,7-9,17H,5-6H2,1-2H3,(H2,24,27)(H,26,28)/t17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230020 (US9556135, 203) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F |r,t:25| Show InChI InChI=1S/C21H20F4N4O4S/c1-10-7-12(33-19(24)25)9-27-15(10)16(30)28-11-3-4-14(22)13(8-11)20(2)17(23)34(31,32)21(5-6-21)18(26)29-20/h3-4,7-9,17,19H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229989 (US9556135, 156) Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r,c:4| Show InChI InChI=1S/C22H25F2N5O4S/c1-21(2)20(25)29-22(11-23,12-34(21,31)32)15-7-14(5-6-16(15)24)28-19(30)17-8-27-18(9-26-17)33-10-13-3-4-13/h5-9,13H,3-4,10-12H2,1-2H3,(H2,25,29)(H,28,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228404 (US9556135, 48) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:4| Show InChI InChI=1S/C22H21FN6O2S/c1-21(2)20(25)29-22(3,12-32(21,30)31)16-9-15(4-5-17(16)23)28-19-18-14(6-7-26-19)8-13(10-24)11-27-18/h4-9,11H,12H2,1-3H3,(H2,25,29)(H,26,28)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230028 (US9556135, 216) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:32| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-11-6-12(21)8-25-16(11)17(28)26-13-2-3-15(23)14(7-13)19(9-22)10-31(29,30)20(4-5-20)18(24)27-19/h2-3,6-8H,4-5,9-10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229992 (US9556135, 159) Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)CS(=O)(=O)C(C)(C)C(N)=N3)ncc(F)c2c1 |r,c:27| Show InChI InChI=1S/C22H22F3N5O3S/c1-21(2)20(26)30-22(10-23,11-34(21,31)32)15-6-12(4-5-16(15)24)29-19-18-14(17(25)9-28-19)7-13(33-3)8-27-18/h4-9H,10-11H2,1-3H3,(H2,26,30)(H,28,29)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228414 (US9556135, 49) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-15(14)23)28-18-17-13(16(24)9-27-18)6-11(22)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229990 (US9556135, 157) Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F |r,c:4| Show InChI InChI=1S/C22H19F3N6O2S/c1-21(2)20(26)31-22(10-23,11-34(21,32)33)15-7-12(4-5-16(15)24)30-19-18-14(17(25)9-29-19)6-13(27-3)8-28-18/h4-9H,10-11H2,1-2H3,(H2,26,31)(H,29,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228473 (US9556135, 195) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2C=C)ccc1F |r,c:4| Show InChI InChI=1S/C21H22ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h5-10H,1,11H2,2-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228399 (US9556135, 45) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C21H21ClFN5O2S/c1-20(2)19(24)28-21(3,11-31(20,29)30)15-9-14(4-5-16(15)23)27-18-17-12(6-7-25-18)8-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,24,28)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228439 (US9556135, 24) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:4| Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-7-11(4-5-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228868 (US9556135, 144) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33| Show InChI InChI=1S/C21H23F3N4O4S/c1-11-7-13(32-19(23)24)9-26-16(11)17(29)27-12-5-6-15(22)14(8-12)21(4)10-33(30,31)20(2,3)18(25)28-21/h5-9,19H,10H2,1-4H3,(H2,25,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230018 (US9556135, 201) Show SMILES C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H17ClF2N4O3S/c1-18(16(22)30(28,29)19(6-7-19)17(23)26-18)12-8-11(3-4-13(12)21)25-15(27)14-5-2-10(20)9-24-14/h2-5,8-9,16H,6-7H2,1H3,(H2,23,26)(H,25,27)/t16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230001 (US9556135, 192) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Cl)c3cc(Cl)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C21H20Cl2FN5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-16(14)24)28-18-17-13(15(23)9-27-18)6-11(22)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229056 (US9556135, 122) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C#N |r,c:31| Show InChI InChI=1S/C22H22FN5O3S/c1-13-8-14(10-24)11-26-18(13)19(29)27-15-4-5-17(23)16(9-15)21(2)12-32(30,31)22(6-3-7-22)20(25)28-21/h4-5,8-9,11H,3,6-7,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230025 (US9556135, 193) Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:4| Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(9-21,10-30(18,28)29)13-7-12(4-5-14(13)22)25-16(27)15-6-3-11(20)8-24-15/h3-8H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230012 (US9556135, 179) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C21H17F3N6O2S/c1-20(10-33(31,32)21(2,24)19(26)30-20)14-6-12(3-4-15(14)22)29-18-17-13(16(23)9-28-18)5-11(7-25)8-27-17/h3-6,8-9H,10H2,1-2H3,(H2,26,30)(H,28,29)/t20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230000 (US9556135, 188) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Br)c3cc(Cl)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C21H20BrClFN5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-16(14)24)28-18-17-13(15(22)9-27-18)6-11(23)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50012660 (CHEMBL3261078 | US9273042, 5 | US9556135, 19) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:4| Show InChI InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228478 (US9556135, 204) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F |r,t:22| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-10-7-11(21)9-25-15(10)16(28)26-12-3-4-14(22)13(8-12)19(2)17(23)31(29,30)20(5-6-20)18(24)27-19/h3-4,7-9,17H,5-6H2,1-2H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229508 (US9556135, 168) Show SMILES CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,18(24)32(20,30)31)14-9-13(4-5-15(14)23)28-17-16-11(6-7-26-17)8-12(22)10-27-16/h4-10,18H,1-3H3,(H2,25,29)(H,26,28)/t18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230022 (US9556135, 207) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)C(F)F |r,t:21| Show InChI InChI=1S/C21H20F4N4O3S/c1-10-7-11(16(23)24)9-27-15(10)17(30)28-12-3-4-14(22)13(8-12)20(2)18(25)33(31,32)21(5-6-21)19(26)29-20/h3-4,7-9,16,18H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t18-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228963 (US9556135, 125) Show SMILES C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,wU:6.10,wD:1.0,8.8,c:13,(6,-2.63,;4.67,-1.86,;6,-1.09,;6,.45,;7.34,1.22,;7.34,-.32,;4.67,1.22,;3.58,2.31,;4.67,3.4,;4.67,4.94,;5.76,2.31,;3.33,.45,;2,1.22,;3.33,-1.09,;3.33,-2.63,;2,-1.86,;.67,-2.63,;-.67,-1.86,;-2,-2.63,;-2,-4.17,;-3.33,-1.86,;-4.67,-2.63,;-6,-1.86,;-6,-.32,;-7.34,.45,;-4.67,.45,;-3.33,-.32,;.67,-4.17,;2,-4.94,;3.33,-4.17,;4.67,-4.94,)| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-19(10-31(29,30)20(18(24)27-19)7-12(22)8-20)14-6-13(3-4-15(14)23)26-17(28)16-5-2-11(21)9-25-16/h2-6,9,12H,7-8,10H2,1H3,(H2,24,27)(H,26,28)/t12-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228443 (US9556135, 38) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:4| Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229982 (US9556135, 180) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C20H17F2N7O2S/c1-19(9-32(30,31)20(2,22)18(24)29-19)13-6-12(3-4-14(13)21)28-17-16-15(26-10-27-17)5-11(7-23)8-25-16/h3-6,8,10H,9H2,1-2H3,(H2,24,29)(H,26,27,28)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228463 (US9556135, 116) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:12| Show InChI InChI=1S/C22H21ClFN5O2S/c1-21(12-32(30,31)22(6-2-7-22)20(25)29-21)16-10-15(3-4-17(16)24)28-19-18-13(5-8-26-19)9-14(23)11-27-18/h3-5,8-11H,2,6-7,12H2,1H3,(H2,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230029 (US9556135, 217) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:35| Show InChI InChI=1S/C21H20F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-2-3-15(23)14(7-12)20(9-22)10-34(31,32)21(4-5-21)18(26)29-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,26,29)(H,28,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228869 (US9556135, 120) Show SMILES C[C@]1(CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:14| Show InChI InChI=1S/C20H18ClF3N4O3S/c1-18(10-32(30,31)19(17(25)28-18)8-20(23,24)9-19)13-6-12(3-4-14(13)22)27-16(29)15-5-2-11(21)7-26-15/h2-7H,8-10H2,1H3,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230017 (US9556135, 200) Show SMILES C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H17ClF2N4O3S/c1-18(16(22)30(28,29)19(6-7-19)17(23)26-18)12-8-11(3-4-13(12)21)25-15(27)14-5-2-10(20)9-24-14/h2-5,8-9,16H,6-7H2,1H3,(H2,23,26)(H,25,27)/t16-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229566 (US9556135, 162) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nncc3cc(Br)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C20H20BrFN6O2S/c1-19(2)18(23)27-20(3,10-31(19,29)30)14-7-13(4-5-15(14)22)26-17-16-11(8-25-28-17)6-12(21)9-24-16/h4-9H,10H2,1-3H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230002 (US9556135, 190) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(C#C)c3cc(Cl)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C23H21ClFN5O2S/c1-5-13-10-28-20(19-16(13)8-14(24)11-27-19)29-15-6-7-18(25)17(9-15)23(4)12-33(31,32)22(2,3)21(26)30-23/h1,6-11H,12H2,2-4H3,(H2,26,30)(H,28,29)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228415 (US9556135, 69 | US9556135, 70) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,c:4| Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-13(8-15(23)16(14)24)28-18-17-11(4-5-26-18)6-12(22)9-27-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228476 (US9556135, 197) Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:32| Show InChI InChI=1S/C21H23ClF2N4O3S/c1-4-12-7-13(22)9-26-17(12)18(29)27-14-5-6-16(24)15(8-14)21(10-23)11-32(30,31)20(2,3)19(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228437 (US9556135, 22) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30| Show InChI InChI=1S/C20H23FN4O4S/c1-19(2)18(22)25-20(3,11-30(19,27)28)14-9-12(5-7-15(14)21)24-17(26)16-8-6-13(29-4)10-23-16/h5-10H,11H2,1-4H3,(H2,22,25)(H,24,26)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230019 (US9556135, 202) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F |r,t:25| Show InChI InChI=1S/C21H20F4N4O4S/c1-10-7-12(33-19(24)25)9-27-15(10)16(30)28-11-3-4-14(22)13(8-11)20(2)17(23)34(31,32)21(5-6-21)18(26)29-20/h3-4,7-9,17,19H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229994 (US9556135, 104) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(OCC4CC4)cnc23)ccc1F |r,c:4| Show InChI InChI=1S/C24H27FN6O3S/c1-23(2)22(26)31-24(3,12-35(23,32)33)17-8-15(6-7-18(17)25)30-21-20-19(28-13-29-21)9-16(10-27-20)34-11-14-4-5-14/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,26,31)(H,28,29,30)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.54	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229049 (US9556135, 127) Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 |r,c:32| Show InChI InChI=1S/C21H22ClFN4O3S/c1-12-8-13(22)10-25-17(12)18(28)26-14-4-5-16(23)15(9-14)20(2)11-31(29,30)21(6-3-7-21)19(24)27-20/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229389 (US9556135, 131) Show SMILES C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-19(17(23)31(29,30)20(7-2-8-20)18(24)27-19)13-9-12(4-5-14(13)22)26-16(28)15-6-3-11(21)10-25-15/h3-6,9-10,17H,2,7-8H2,1H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229050 (US9556135, 148) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34| Show InChI InChI=1S/C21H22F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-4-5-15(23)14(7-12)21(9-22)10-34(31,32)20(2,3)18(26)29-21/h4-8,19H,9-10H2,1-3H3,(H2,26,29)(H,28,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229051 (US9556135, 151) Show SMILES Cc1cc(OCC2CCC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:37| Show InChI InChI=1S/C25H30F2N4O4S/c1-15-9-18(35-12-16-5-4-6-16)11-29-21(15)22(32)30-17-7-8-20(27)19(10-17)25(13-26)14-36(33,34)24(2,3)23(28)31-25/h7-11,16H,4-6,12-14H2,1-3H3,(H2,28,31)(H,30,32)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229052 (US9556135, 106) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:4| Show InChI InChI=1S/C18H19ClF3N5O3S/c1-17(2)15(23)25-18(3,8-31(17,29)30)10-6-9(4-5-12(10)20)24-14(28)13-11(19)7-27(26-13)16(21)22/h4-7,16H,8H2,1-3H3,(H2,23,25)(H,24,28)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228474 (US9556135, 196) Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:31| Show InChI InChI=1S/C21H24ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h6-10H,5,11H2,1-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.81	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228466 (US9556135, 117) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F |r,c:12| Show InChI InChI=1S/C23H21FN6O2S/c1-22(13-33(31,32)23(7-3-8-23)21(25)30-22)17-11-15(4-5-18(17)24)29-20-19-14(6-9-27-20)10-16(26-2)12-28-19/h4-6,9-12H,3,7-8,13H2,1H3,(H2,25,30)(H,27,29)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228401 (US9556135, 18) Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:4| Show InChI InChI=1S/C19H20F2N4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230013 (US9556135, 199) Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:11| Show InChI InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230021 (US9556135, 206) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)C(F)F |r,t:21| Show InChI InChI=1S/C21H20F4N4O3S/c1-10-7-11(16(23)24)9-27-15(10)17(30)28-12-3-4-14(22)13(8-12)20(2)18(25)33(31,32)21(5-6-21)19(26)29-20/h3-4,7-9,16,18H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair

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